3-(Pyridin-4-yl)benzaldehyde

C₁₂H₉NOCAS 208190-04-9183.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₉NO
Molar mass: 183.21 g/mol
Exact mass: 183.0684 Da
logP: 2.56Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

208190-04-9

SMILES

C1=CC(=CC(=C1)C2=CC=NC=C2)C=O

InChIKey

ANVUAAJNQXEBNM-UHFFFAOYSA-N

InChI

InChI=1S/C12H9NO/c14-9-10-2-1-3-12(8-10)11-4-6-13-7-5-11/h1-9H

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Names and synonyms

1 names

3-Pyrid-4-ylbenzaldehyde

Work with 3-(Pyridin-4-yl)benzaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

[1,1′-Biphenyl]-3-carboxaldehyde1204-60-071 % similar 4'-Chlorobiphenyl-3-carbaldehyde139502-80-063 % similar 3-(4-Methylphenyl)benzaldehyde116470-54-361 % similar 3-(4-Fluorophenyl)benzaldehyde164334-74-161 % similar 3-(3-Fluorophenyl)benzaldehyde400750-09-659 % similar 3-(3-Methylphenyl)benzaldehyde216443-78-658 % similar 4'-Methoxy-[1,1'-biphenyl]-3-carbaldehyde118350-17-756 % similar 4'-Trifluoromethyl-biphenyl-3-carbaldehyde343604-24-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-(Pyridin-3-yl)benzaldehyde127406-55-7 4-(2-Pyridinyl)benzaldehyde127406-56-8 3-(3-Pyridyl)benzaldehyde131231-24-8 Phenoxazine135-67-1 4-Benzoylpyridine14548-46-0 2-(4-Pyridinyl)benzaldehyde176526-00-4 2-Methylnaphth[2,3-d]oxazole20686-66-2 3-Dibenzofuranamine4106-66-5

Elsewhere

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